2'-O-ACETYLSPIRAMYCIN I

CAS No.
89000-32-8
CCD No.
CCD01404525
Formula
C45 H76 N2 O15
MolWeight
885.094

Basic Information

Product Name: 2'-O-ACETYLSPIRAMYCIN I
CAS: 89000-32-8
English Synonyms: 2'-O-ACETYLSPIRAMYCIN I
MDL Number.: MFCD12031455
H bond acceptor: 17
H bond donor: 3
Smile: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)OC(=O)C)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C
InChi: InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)40(62-44-42(59-30(6)49)38(47(10)11)39(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)41(54-12)33(50)23-35(51)55-26(2)16-14-13-15-17-34(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,50,52-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27-,28-,29+,31+,32+,33-,34+,36+,37+,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
InChiKey: InChIKey=RUZGDOQZRIXUGK-JEZODNTGSA-N

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